[2-[(3-cyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-isocyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-isocyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;4-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-7-oxo-6-oxabicyclo[3.2.1]octane-3-carboxylic acid;7-oxo-4-(2-prop-2-enoyloxyacetyl)oxy-6-oxabicyclo[3.2.1]octane-3-carboxylic acid

C94H101N3O50 — CID 158785515

IUPAC[2-[(3-cyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-isocyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-isocyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;4-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-7-oxo-6-oxabicyclo[3.2.1]octane-3-carboxylic acid;7-oxo-4-(2-prop-2-enoyloxyacetyl)oxy-6-oxabicyclo[3.2.1]octane-3-carboxylic acid
SMILESC=C(C)C(=O)OCC(=O)OC1C2CC(CC1C(=O)O)C(=O)O2.C=C(C)C(=O)OCC(=O)OC1CCC2CC1(OC=O)OC2=O.C=CC(=O)OCC(=O)OC1C(C#N)CC2CC1OC2=O.C=CC(=O)OCC(=O)OC1C2CC(CC1C(=O)O)C(=O)O2.C=CC(=O)OCC(=O)OC1CCC2CC1(OC=O)OC2=O.[C-]#[N+]C12CC(CCC1OC(=O)COC(=O)C(=C)C)C(=O)O2.[C-]#[N+]C12CC(CCC1OC(=O)COC(=O)C=C)C(=O)O2
InChIInChI=1S/C14H15NO6.2C14H16O8.2C13H13NO6.2C13H14O8/c1-8(2)12(17)19-7-11(16)20-10-5-4-9-6-14(10,15-3)21-13(9)18;1-6(2)13(18)20-5-10(15)22-11-8(12(16)17)3-7-4-9(11)21-14(7)19;1-8(2)12(17)19-6-11(16)21-10-4-3-9-5-14(10,20-7-15)22-13(9)18;1-3-10(15)18-7-11(16)19-9-5-4-8-6-13(9,14-2)20-12(8)17;1-2-10(15)18-6-11(16)20-12-8(5-14)3-7-4-9(12)19-13(7)17;1-2-9(14)19-5-10(15)21-11-7(12(16)17)3-6-4-8(11)20-13(6)18;1-2-10(15)18-6-11(16)20-9-4-3-8-5-13(9,19-7-14)21-12(8)17/h9-10H,1,4-7H2,2H3;7-9,11H,1,3-5H2,2H3,(H,16,17);7,9-10H,1,3-6H2,2H3;3,8-9H,1,4-7H2;2,7-9,12H,1,3-4,6H2;2,6-8,11H,1,3-5H2,(H,16,17);2,7-9H,1,3-6H2
InChIKeyIRQAIVWDYKKJHL-UHFFFAOYSA-N
MW2072.81 g/mol
LogP1.51
Rot. Bonds34

About [2-[(3-cyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-isocyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-isocyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;4-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-7-oxo-6-oxabicyclo[3.2.1]octane-3-carboxylic acid;7-oxo-4-(2-prop-2-enoyloxyacetyl)oxy-6-oxabicyclo[3.2.1]octane-3-carboxylic acid

[2-[(3-cyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-isocyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-isocyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;4-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-7-oxo-6-oxabicyclo[3.2.1]octane-3-carboxylic acid;7-oxo-4-(2-prop-2-enoyloxyacetyl)oxy-6-oxabicyclo[3.2.1]octane-3-carboxylic acid (PubChem CID 158785515) has the molecular formula C94H101N3O50 and a molecular weight of 2072.81 g/mol. Its IUPAC name is [2-[(3-cyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-isocyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-isocyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;4-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-7-oxo-6-oxabicyclo[3.2.1]octane-3-carboxylic acid;7-oxo-4-(2-prop-2-enoyloxyacetyl)oxy-6-oxabicyclo[3.2.1]octane-3-carboxylic acid.

Molecular Properties

Compound Name[2-[(3-cyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-isocyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-isocyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;4-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-7-oxo-6-oxabicyclo[3.2.1]octane-3-carboxylic acid;7-oxo-4-(2-prop-2-enoyloxyacetyl)oxy-6-oxabicyclo[3.2.1]octane-3-carboxylic acid
PubChem CID158785515
Molecular FormulaC94H101N3O50
Molecular Weight2072.81 g/mol
Exact Mass2071.55
IUPAC Name[2-[(3-cyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-isocyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-isocyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;4-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-7-oxo-6-oxabicyclo[3.2.1]octane-3-carboxylic acid;7-oxo-4-(2-prop-2-enoyloxyacetyl)oxy-6-oxabicyclo[3.2.1]octane-3-carboxylic acid
SMILESC=C(C)C(=O)OCC(=O)OC1C2CC(CC1C(=O)O)C(=O)O2.C=C(C)C(=O)OCC(=O)OC1CCC2CC1(OC=O)OC2=O.C=CC(=O)OCC(=O)OC1C(C#N)CC2CC1OC2=O.C=CC(=O)OCC(=O)OC1C2CC(CC1C(=O)O)C(=O)O2.C=CC(=O)OCC(=O)OC1CCC2CC1(OC=O)OC2=O.[C-]#[N+]C12CC(CCC1OC(=O)COC(=O)C(=C)C)C(=O)O2.[C-]#[N+]C12CC(CCC1OC(=O)COC(=O)C=C)C(=O)O2
InChIInChI=1S/C14H15NO6.2C14H16O8.2C13H13NO6.2C13H14O8/c1-8(2)12(17)19-7-11(16)20-10-5-4-9-6-14(10,15-3)21-13(9)18;1-6(2)13(18)20-5-10(15)22-11-8(12(16)17)3-7-4-9(11)21-14(7)19;1-8(2)12(17)19-6-11(16)21-10-4-3-9-5-14(10,20-7-15)22-13(9)18;1-3-10(15)18-7-11(16)19-9-5-4-8-6-13(9,14-2)20-12(8)17;1-2-10(15)18-6-11(16)20-12-8(5-14)3-7-4-9(12)19-13(7)17;1-2-9(14)19-5-10(15)21-11-7(12(16)17)3-6-4-8(11)20-13(6)18;1-2-10(15)18-6-11(16)20-9-4-3-8-5-13(9,19-7-14)21-12(8)17/h9-10H,1,4-7H2,2H3;7-9,11H,1,3-5H2,2H3,(H,16,17);7,9-10H,1,3-6H2,2H3;3,8-9H,1,4-7H2;2,7-9,12H,1,3-4,6H2;2,6-8,11H,1,3-5H2,(H,16,17);2,7-9H,1,3-6H2
InChIKeyIRQAIVWDYKKJHL-UHFFFAOYSA-N
XLogP1.51
TPSA712.01 Ų
H-Bond Donors2
H-Bond Acceptors49
Rotatable Bonds34
Heavy Atoms147
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002072.81
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [2-[(3-cyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-isocyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-isocyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;4-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-7-oxo-6-oxabicyclo[3.2.1]octane-3-carboxylic acid;7-oxo-4-(2-prop-2-enoyloxyacetyl)oxy-6-oxabicyclo[3.2.1]octane-3-carboxylic acid with MolForge

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Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[(3-cyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-isocyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-isocyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;4-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-7-oxo-6-oxabicyclo[3.2.1]octane-3-carboxylic acid;7-oxo-4-(2-prop-2-enoyloxyacetyl)oxy-6-oxabicyclo[3.2.1]octane-3-carboxylic acid?
The IUPAC name of [2-[(3-cyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-isocyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-isocyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;4-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-7-oxo-6-oxabicyclo[3.2.1]octane-3-carboxylic acid;7-oxo-4-(2-prop-2-enoyloxyacetyl)oxy-6-oxabicyclo[3.2.1]octane-3-carboxylic acid (CID 158785515) is [2-[(3-cyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-isocyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-isocyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;4-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-7-oxo-6-oxabicyclo[3.2.1]octane-3-carboxylic acid;7-oxo-4-(2-prop-2-enoyloxyacetyl)oxy-6-oxabicyclo[3.2.1]octane-3-carboxylic acid.
What is the SMILES notation for [2-[(3-cyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-isocyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-isocyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;4-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-7-oxo-6-oxabicyclo[3.2.1]octane-3-carboxylic acid;7-oxo-4-(2-prop-2-enoyloxyacetyl)oxy-6-oxabicyclo[3.2.1]octane-3-carboxylic acid?
The canonical SMILES for [2-[(3-cyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-isocyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-isocyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;4-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-7-oxo-6-oxabicyclo[3.2.1]octane-3-carboxylic acid;7-oxo-4-(2-prop-2-enoyloxyacetyl)oxy-6-oxabicyclo[3.2.1]octane-3-carboxylic acid is C=C(C)C(=O)OCC(=O)OC1C2CC(CC1C(=O)O)C(=O)O2.C=C(C)C(=O)OCC(=O)OC1CCC2CC1(OC=O)OC2=O.C=CC(=O)OCC(=O)OC1C(C#N)CC2CC1OC2=O.C=CC(=O)OCC(=O)OC1C2CC(CC1C(=O)O)C(=O)O2.C=CC(=O)OCC(=O)OC1CCC2CC1(OC=O)OC2=O.[C-]#[N+]C12CC(CCC1OC(=O)COC(=O)C(=C)C)C(=O)O2.[C-]#[N+]C12CC(CCC1OC(=O)COC(=O)C=C)C(=O)O2.
What is the InChIKey of [2-[(3-cyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-isocyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-isocyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;4-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-7-oxo-6-oxabicyclo[3.2.1]octane-3-carboxylic acid;7-oxo-4-(2-prop-2-enoyloxyacetyl)oxy-6-oxabicyclo[3.2.1]octane-3-carboxylic acid?
The InChIKey is IRQAIVWDYKKJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO6.2C14H16O8.2C13H13NO6.2C13H14O8/c1-8(2)12(17)19-7-11(16)20-10-5-4-9-6-14(10,15-3)21-13(9)18;1-6(2)13(18)20-5-10(15)22-11-8(12(16)17)3-7-4-9(11)21-14(7)19;1-8(2)12(17)19-6-11(16)21-10-4-3-9-5-14(10,20-7-15)22-13(9)18;1-3-10(15)18-7-11(16)19-9-5-4-8-6-13(9,14-2)20-12(8)17;1-2-10(15)18-6-11(16)20-12-8(5-14)3-7-4-9(12)19-13(7)17;1-2-9(14)19-5-10(15)21-11-7(12(16)17)3-6-4-8(11)20-13(6)18;1-2-10(15)18-6-11(16)20-9-4-3-8-5-13(9,19-7-14)21-12(8)17/h9-10H,1,4-7H2,2H3;7-9,11H,1,3-5H2,2H3,(H,16,17);7,9-10H,1,3-6H2,2H3;3,8-9H,1,4-7H2;2,7-9,12H,1,3-4,6H2;2,6-8,11H,1,3-5H2,(H,16,17);2,7-9H,1,3-6H2.
What are the key properties of [2-[(3-cyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-isocyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-isocyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;4-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-7-oxo-6-oxabicyclo[3.2.1]octane-3-carboxylic acid;7-oxo-4-(2-prop-2-enoyloxyacetyl)oxy-6-oxabicyclo[3.2.1]octane-3-carboxylic acid?
[2-[(3-cyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-isocyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-isocyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;4-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-7-oxo-6-oxabicyclo[3.2.1]octane-3-carboxylic acid;7-oxo-4-(2-prop-2-enoyloxyacetyl)oxy-6-oxabicyclo[3.2.1]octane-3-carboxylic acid has a molecular weight of 2072.81 g/mol, XLogP of 1.51, 34 rotatable bonds, 2 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-cyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-isocyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-isocyano-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;4-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-7-oxo-6-oxabicyclo[3.2.1]octane-3-carboxylic acid;7-oxo-4-(2-prop-2-enoyloxyacetyl)oxy-6-oxabicyclo[3.2.1]octane-3-carboxylic acid is sourced from PubChem (CID 158785515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).